1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile

C23H22N2O2 — CID 142264542

IUPAC1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(-c3ccc(CO)cc3)cc(C)c(C#N)c2=O)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-4-7-20(16(2)10-15)13-25-22(11-17(3)21(12-24)23(25)27)19-8-5-18(14-26)6-9-19/h4-11,26H,13-14H2,1-3H3
InChIKeyXZRHMHYXAZIRKZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.85
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 142264542) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID142264542
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(-c3ccc(CO)cc3)cc(C)c(C#N)c2=O)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-4-7-20(16(2)10-15)13-25-22(11-17(3)21(12-24)23(25)27)19-8-5-18(14-26)6-9-19/h4-11,26H,13-14H2,1-3H3
InChIKeyXZRHMHYXAZIRKZ-UHFFFAOYSA-N
XLogP3.85
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(N-methylanilino)phenyl]-2-oxopyridine-3-carbonitrile
CID 142264568
1-[(2,4-dimethylphenyl)methyl]-6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340602
1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane
CID 142264575
6-(4-chlorophenyl)-1-[(2,4-dimethylphenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10287813
1-[(2,4-dimethylphenyl)methyl]-6-[3-(2-formyl-1H-indol-5-yl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 89274752
methyl 4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 67338946
4-[2-[(2,4-dimethylphenyl)methyl]-1-oxoisoquinolin-3-yl]benzonitrile
CID 66884651
methyl 3-cyano-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-4-carboxylate
CID 67339890
1-[(2,4-dimethylphenyl)methyl]-6-[4-(4-hydroxy-3-methylphenoxy)phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338790
(E)-3-[4-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]prop-2-enoic acid
CID 69237268
1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(4-phenylphenoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339496
4-[chloro(difluoro)methyl]-1-[(2,4-dimethylphenyl)methyl]-6-(3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 10126935

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 142264542) is 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(Cn2c(-c3ccc(CO)cc3)cc(C)c(C#N)c2=O)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XZRHMHYXAZIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-4-7-20(16(2)10-15)13-25-22(11-17(3)21(12-24)23(25)27)19-8-5-18(14-26)6-9-19/h4-11,26H,13-14H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 358.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 142264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).